1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C27H29N3O3 — CID 43969759

IUPAC1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2CC(NC(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(18-24)30-19-22(17-26(30)31)29-27(32)28-16-15-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,18,22,25H,15-17,19H2,1H3,(H2,28,29,32)
InChIKeySBJBSVLPJYPYDX-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.32
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969759) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969759
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2CC(NC(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(18-24)30-19-22(17-26(30)31)29-27(32)28-16-15-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,18,22,25H,15-17,19H2,1H3,(H2,28,29,32)
InChIKeySBJBSVLPJYPYDX-UHFFFAOYSA-N
XLogP4.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methylindol-1-yl)ethyl]urea
CID 40506729
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544271
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7544280
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea
CID 18564219
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-(3-methoxyphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513464
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215180
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 134813179

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969759) is 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1cccc(N2CC(NC(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is SBJBSVLPJYPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(18-24)30-19-22(17-26(30)31)29-27(32)28-16-15-25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,18,22,25H,15-17,19H2,1H3,(H2,28,29,32).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 443.55 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).